#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wcm n ASN 3 N 0.00 0.65 -4.26 4.04 3.02 -1.26 -5.10 115.26 112.35 1wcm n ASN 3 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 54.58 54.41 1wcm n ASN 3 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1wcm n ASN 3 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1wcm s THR 4 N 0.53 1.11 0.00 3.41 2.01 -1.26 -4.48 115.64 116.96 1wcm s THR 4 Ca 0.00 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 59.95 1wcm s THR 4 Cb 0.00 -1.92 0.00 0.00 0.01 0.00 0.00 72.50 70.59 1wcm s THR 4 CO 0.00 -0.68 0.60 0.18 -0.69 0.00 0.00 174.62 174.02 1wcm n LEU 5 N -0.22 0.60 -3.64 4.42 4.77 -1.26 -4.79 117.00 116.87 1wcm n LEU 5 Ca -0.09 -0.60 -0.03 0.00 -0.03 0.00 0.00 56.01 55.26 1wcm n LEU 5 Cb 0.61 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1wcm n LEU 5 CO 0.33 0.15 1.12 0.12 -1.33 0.00 0.00 177.39 177.78 1wcm s PHE 6 N -0.28 -0.08 -0.13 -1.77 5.36 -1.26 -4.54 117.98 115.28 1wcm s PHE 6 Ca 0.00 0.16 -0.10 0.00 -0.96 0.00 0.00 56.93 56.03 1wcm s PHE 6 Cb 0.00 0.48 0.04 0.00 -0.34 0.00 0.00 43.02 43.20 1wcm s PHE 6 CO 0.00 -0.06 0.34 0.34 -1.46 0.00 0.00 175.22 174.38 1wcm s ASP 7 N -0.53 -0.38 0.00 6.13 -1.08 -1.26 -3.72 116.67 115.83 1wcm s ASP 7 Ca 0.07 0.70 0.00 0.00 -0.52 0.00 0.00 52.55 52.81 1wcm s ASP 7 Cb -0.03 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1wcm s ASP 7 CO -0.11 -0.14 0.00 -0.67 0.52 0.00 0.00 175.17 174.77 1wcm n ASP 8 N 3.43 0.00 -4.07 -0.34 2.03 -1.17 -5.04 116.55 111.39 1wcm n ASP 8 Ca -0.17 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.97 1wcm n ASP 8 Cb 0.56 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.83 1wcm n ASP 8 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wcm s ILE 9 N -2.00 0.76 0.26 5.18 1.01 -1.26 -1.77 121.20 123.38 1wcm s ILE 9 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1wcm s ILE 9 Cb 0.00 -0.71 -0.05 0.00 0.01 0.00 0.00 42.46 41.70 1wcm s ILE 9 CO 0.00 -0.07 0.08 -0.36 0.00 0.00 0.00 174.94 174.59 1wcm s PHE 10 N -0.79 1.60 -0.09 3.97 0.40 -0.46 -2.53 117.98 120.08 1wcm s PHE 10 Ca -0.02 -1.11 0.02 0.00 -0.60 0.00 0.00 56.93 55.22 1wcm s PHE 10 Cb -0.07 -0.96 0.01 0.00 0.51 0.00 0.00 43.02 42.51 1wcm s PHE 10 CO 0.01 -0.24 -0.13 -1.14 0.70 0.00 0.00 175.22 174.42 1wcm s GLN 11 N -3.99 1.89 -0.30 0.44 0.74 0.19 -2.63 119.66 116.00 1wcm s GLN 11 Ca 0.36 -0.45 -0.28 0.00 0.05 0.00 0.00 55.36 55.03 1wcm s GLN 11 Cb 0.08 -1.62 -0.03 0.00 1.10 0.00 0.00 33.01 32.54 1wcm s GLN 11 CO 0.13 -0.04 1.93 0.08 -0.55 0.00 0.00 175.29 176.84 1wcm s VAL 12 N 0.90 3.34 0.21 1.34 1.01 -1.24 -1.20 120.40 124.77 1wcm s VAL 12 Ca -0.09 0.34 0.10 0.00 0.00 0.00 0.00 61.98 62.33 1wcm s VAL 12 Cb -0.15 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1wcm s VAL 12 CO 0.01 -0.29 1.51 0.77 0.00 0.00 0.00 175.10 177.10 1wcm h SER 13 N 13.54 0.00 -3.24 3.32 4.64 -1.24 0.23 113.55 130.81 1wcm h SER 13 Ca -0.36 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.16 1wcm h SER 13 Cb 1.19 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.01 1wcm h SER 13 CO 1.01 0.72 0.84 -0.70 -0.87 0.00 0.00 176.83 177.83 1wcm s GLU 14 N -3.32 0.20 -0.08 4.77 2.12 -1.20 -4.80 118.70 116.38 1wcm s GLU 14 Ca -0.00 0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.41 1wcm s GLU 14 Cb 0.12 0.09 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1wcm s GLU 14 CO 0.78 -0.06 -0.10 0.08 -0.54 0.00 0.00 175.26 175.42 1wcm s VAL 15 N -0.88 3.37 -0.16 3.70 1.01 -1.26 -3.18 120.40 123.01 1wcm s VAL 15 Ca 0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1wcm s VAL 15 Cb -0.01 -2.37 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1wcm s VAL 15 CO -0.07 0.57 -0.08 -0.62 0.00 0.00 0.00 175.10 174.91 1wcm s ASP 16 N -0.46 2.73 -0.69 3.32 2.15 -0.68 -5.00 116.67 118.04 1wcm s ASP 16 Ca 0.06 -0.59 -0.08 0.00 0.43 0.00 0.00 52.55 52.38 1wcm s ASP 16 Cb -0.12 -0.97 0.18 0.00 -0.30 0.00 0.00 42.92 41.71 1wcm s ASP 16 CO 0.02 -0.15 0.56 -2.16 -0.17 0.00 0.00 175.17 173.27 1wcm s PRO 17 N 1.60 2.96 -1.24 4.34 0.04 -1.26 -1.90 135.00 139.55 1wcm s PRO 17 Ca 0.02 -2.45 -0.07 0.00 0.04 0.00 0.00 61.00 58.54 1wcm s PRO 17 Cb -0.14 -4.02 0.19 0.00 0.04 0.00 0.00 34.50 30.57 1wcm s PRO 17 CO -0.08 -1.22 1.92 0.41 0.04 0.00 0.00 177.00 178.07 1wcm n GLY 18 N 3.78 5.04 2.20 0.56 0.00 -1.26 -4.49 105.19 111.02 1wcm n GLY 18 Ca 0.09 -2.23 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 1wcm n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wcm n ARG 19 N 2.63 -2.08 -3.55 1.61 5.12 -1.26 -5.00 116.66 114.12 1wcm n ARG 19 Ca 0.43 0.31 -0.27 0.00 -1.93 0.00 0.00 57.85 56.39 1wcm n ARG 19 Cb 0.32 -3.85 -0.10 0.00 -1.16 0.00 0.00 32.46 27.67 1wcm n ARG 19 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1wcm n TYR 20 N -3.57 1.50 -0.66 -1.55 0.53 -1.26 -4.99 117.16 107.16 1wcm n TYR 20 Ca -0.02 -3.86 0.50 0.00 -1.02 0.00 0.00 57.90 53.49 1wcm n TYR 20 Cb 0.53 -0.30 0.77 0.00 -1.03 0.00 0.00 39.34 39.32 1wcm n TYR 20 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1wcm n ASN 21 N 1.95 0.00 -0.23 7.72 3.02 -1.26 -1.51 115.26 124.95 1wcm n ASN 21 Ca 0.25 0.95 0.03 0.00 -0.03 0.00 0.00 54.58 55.78 1wcm n ASN 21 Cb 0.43 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1wcm n ASN 21 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wcm n LYS 22 N -3.81 0.20 -3.72 3.52 5.02 -1.26 -4.98 118.16 113.12 1wcm n LYS 22 Ca 0.42 -0.80 -0.12 0.00 -2.02 0.00 0.00 58.31 55.79 1wcm n LYS 22 Cb 1.93 -1.09 -0.11 0.00 -0.02 0.00 0.00 35.03 35.74 1wcm n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wcm s VAL 23 N -0.57 -0.02 -0.02 -0.18 1.01 -0.57 -2.96 120.40 117.10 1wcm s VAL 23 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.17 1wcm s VAL 23 Cb 0.05 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1wcm s VAL 23 CO 0.08 0.03 -0.20 0.00 0.00 0.00 0.00 175.10 175.01 1wcm s ARG 25 N -0.43 4.56 0.02 0.00 3.52 -0.80 -0.97 118.95 124.86 1wcm s ARG 25 Ca 0.07 1.20 0.06 0.00 -0.13 0.00 0.00 55.73 56.93 1wcm s ARG 25 Cb -0.08 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1wcm s ARG 25 CO -0.00 0.47 -0.19 0.42 -0.81 0.00 0.00 175.30 175.19 1wcm s ILE 26 N -1.32 1.49 -0.09 4.11 1.01 0.29 -1.69 121.20 125.00 1wcm s ILE 26 Ca 0.41 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1wcm s ILE 26 Cb -0.21 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 40.99 1wcm s ILE 26 CO 0.26 0.25 -0.10 -1.61 0.00 0.00 0.00 174.94 173.73 1wcm s GLU 27 N -0.89 1.67 0.18 2.79 2.02 -1.19 0.86 118.70 124.15 1wcm s GLU 27 Ca 0.06 -0.36 -0.00 0.00 0.02 0.00 0.00 54.97 54.69 1wcm s GLU 27 Cb -0.08 -1.52 -0.04 0.00 0.10 0.00 0.00 34.13 32.58 1wcm s GLU 27 CO 0.01 -0.11 0.08 0.00 0.02 0.00 0.00 175.26 175.26 1wcm s ALA 28 N 1.14 1.19 0.33 5.21 0.00 -0.16 -0.65 121.76 128.81 1wcm s ALA 28 Ca -0.05 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.35 1wcm s ALA 28 Cb -0.14 1.05 -0.05 0.00 0.00 0.00 0.00 23.12 23.98 1wcm s ALA 28 CO -0.02 -0.50 0.08 0.00 0.00 0.00 0.00 175.76 175.32 1wcm s ALA 29 N -3.99 3.35 0.11 0.00 0.00 -0.34 -0.38 121.76 120.51 1wcm s ALA 29 Ca 0.32 -1.87 -0.09 0.00 0.00 0.00 0.00 51.96 50.32 1wcm s ALA 29 Cb 0.07 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.55 1wcm s ALA 29 CO 0.08 0.06 0.42 0.45 0.00 0.00 0.00 175.76 176.77 1wcm s SER 30 N -3.78 6.63 -0.96 0.00 0.15 -0.99 -0.64 113.70 114.11 1wcm s SER 30 Ca 0.36 0.79 -0.02 0.00 0.70 0.00 0.00 55.95 57.78 1wcm s SER 30 Cb -0.02 -2.17 0.27 0.00 -1.71 0.00 0.00 66.02 62.39 1wcm s SER 30 CO 0.21 0.13 2.07 0.41 1.20 0.00 0.00 173.24 177.26 1wcm n THR 31 N 0.68 4.95 0.00 6.45 -1.04 -1.05 -4.68 114.28 119.58 1wcm n THR 31 Ca -0.06 -4.93 0.00 0.00 -2.04 0.00 0.00 64.05 57.02 1wcm n THR 31 Cb 0.52 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.50 1wcm n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1wcm n THR 32 N 0.14 0.00 -2.22 12.58 -1.04 -1.26 -4.94 114.28 117.55 1wcm n THR 32 Ca 0.52 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 62.10 1wcm n THR 32 Cb 0.28 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.76 1wcm n THR 32 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1wcm s GLN 33 N 1.59 4.31 0.00 -2.82 1.11 -1.26 -4.86 119.66 117.73 1wcm s GLN 33 Ca 0.00 1.99 0.00 0.00 0.01 0.00 0.00 55.36 57.36 1wcm s GLN 33 Cb 0.00 -3.43 0.00 0.00 -1.01 0.00 0.00 33.01 28.57 1wcm s GLN 33 CO 0.00 -0.49 0.50 -0.25 0.01 0.00 0.00 175.29 175.06 1wcm n ASP 34 N 4.71 1.30 -0.11 5.90 8.00 -1.26 -3.07 116.55 132.03 1wcm n ASP 34 Ca 0.12 -1.44 -0.22 0.00 0.71 0.00 0.00 54.79 53.96 1wcm n ASP 34 Cb 0.43 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 41.10 1wcm n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wcm n GLN 35 N 0.34 0.45 -1.67 -1.24 6.02 -1.26 -4.94 117.38 115.08 1wcm n GLN 35 Ca 0.00 0.19 -0.37 0.00 -0.01 0.00 0.00 57.00 56.82 1wcm n GLN 35 Cb 0.25 -1.25 -0.03 0.00 1.02 0.00 0.00 30.24 30.23 1wcm n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wcm s LYS 37 N 7.95 2.89 0.01 0.00 1.02 -1.22 -2.34 119.74 128.05 1wcm s LYS 37 Ca 0.91 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.81 1wcm s LYS 37 Cb -0.16 -2.54 -0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1wcm s LYS 37 CO 0.25 0.37 -0.02 -1.17 -0.92 0.00 0.00 175.35 173.86 1wcm s LEU 38 N -3.85 2.06 -0.18 3.17 2.96 0.49 -3.24 118.68 120.09 1wcm s LEU 38 Ca 0.34 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1wcm s LEU 38 Cb -0.08 -0.03 0.06 0.00 0.50 0.00 0.00 46.19 46.64 1wcm s LEU 38 CO 0.25 -0.05 0.05 -0.89 -1.32 0.00 0.00 176.35 174.38 1wcm s THR 39 N -0.36 0.35 -0.09 3.68 2.01 -0.85 -0.99 115.64 119.39 1wcm s THR 39 Ca -0.03 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.54 1wcm s THR 39 Cb -0.03 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.67 1wcm s THR 39 CO -0.00 -0.18 0.21 -0.22 -0.69 0.00 0.00 174.62 173.73 1wcm s LEU 40 N 1.94 0.35 0.40 4.42 2.96 0.25 0.11 118.68 129.11 1wcm s LEU 40 Ca 0.00 0.44 -0.25 0.00 -0.22 0.00 0.00 54.13 54.10 1wcm s LEU 40 Cb -0.16 0.56 -0.08 0.00 0.50 0.00 0.00 46.19 47.00 1wcm s LEU 40 CO -0.08 -0.18 1.17 -1.81 -1.32 0.00 0.00 176.35 174.13 1wcm s ASP 41 N 1.52 6.54 -0.09 3.68 1.01 -0.32 -0.55 116.67 128.47 1wcm s ASP 41 Ca -0.06 2.36 -0.11 0.00 0.71 0.00 0.00 52.55 55.44 1wcm s ASP 41 Cb -0.11 -2.62 0.03 0.00 1.01 0.00 0.00 42.92 41.23 1wcm s ASP 41 CO -0.07 -0.66 0.29 -0.63 0.21 0.00 0.00 175.17 174.30 1wcm s ILE 42 N -1.40 0.02 -0.84 0.77 1.01 -0.14 -4.83 121.20 115.78 1wcm s ILE 42 Ca 0.57 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.83 1wcm s ILE 42 Cb -0.31 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 41.71 1wcm s ILE 42 CO 0.39 -0.07 1.61 0.21 0.00 0.00 0.00 174.94 177.07 1wcm s ASN 43 N -0.23 5.85 0.00 3.58 3.84 -1.26 -1.26 114.94 125.46 1wcm s ASN 43 Ca -0.04 -0.67 0.00 0.00 0.21 0.00 0.00 52.86 52.36 1wcm s ASN 43 Cb -0.03 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 1wcm s ASN 43 CO 0.01 -2.06 1.74 0.52 -2.79 0.00 0.00 177.10 174.52 1wcm n VAL 44 N 7.07 1.74 0.00 -5.21 0.31 -1.15 -2.86 118.33 118.22 1wcm n VAL 44 Ca 0.25 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1wcm n VAL 44 Cb 0.50 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1wcm n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1wcm n GLU 45 N 1.38 0.00 0.00 5.55 2.13 -1.26 -4.52 120.64 123.92 1wcm n GLU 45 Ca 0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1wcm n GLU 45 Cb 0.47 -0.70 0.17 0.00 0.27 0.00 0.00 31.44 31.65 1wcm n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1wcm n LEU 46 N -2.41 1.39 -2.78 4.31 4.77 -1.20 -4.61 117.00 116.48 1wcm n LEU 46 Ca 0.00 -0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 55.46 1wcm n LEU 46 Cb 0.35 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1wcm n LEU 46 CO 0.00 0.27 0.12 0.33 -1.33 0.00 0.00 177.39 176.78 1wcm n PHE 47 N -0.54 -3.69 -1.68 -1.77 7.35 -1.13 -5.02 117.46 110.97 1wcm n PHE 47 Ca 0.10 -1.47 -0.37 0.00 -0.76 0.00 0.00 57.45 54.95 1wcm n PHE 47 Cb 0.39 1.46 0.07 0.00 0.35 0.00 0.00 39.48 41.76 1wcm n PHE 47 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1wcm n PRO 48 N 2.76 1.04 -3.66 -7.13 -0.02 -1.26 -4.41 135.00 122.32 1wcm n PRO 48 Ca 0.17 0.41 -0.06 0.00 -2.02 0.00 0.00 63.50 62.01 1wcm n PRO 48 Cb 0.57 -2.50 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 1wcm n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1wcm s VAL 49 N -1.44 -0.48 0.29 -1.45 1.01 -1.26 -5.06 120.40 112.01 1wcm s VAL 49 Ca 0.82 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.93 1wcm s VAL 49 Cb -0.38 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1wcm s VAL 49 CO 0.41 0.02 0.14 0.00 0.00 0.00 0.00 175.10 175.67 1wcm s ALA 50 N 2.24 3.48 0.31 5.51 0.00 -1.26 -4.97 121.76 127.08 1wcm s ALA 50 Ca -0.07 -1.61 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 1wcm s ALA 50 Cb -0.09 -1.01 -0.15 0.00 0.00 0.00 0.00 23.12 21.87 1wcm s ALA 50 CO -0.17 0.17 0.64 0.00 0.00 0.00 0.00 175.76 176.40 1wcm n ALA 51 N -1.12 -1.67 -2.76 0.00 0.00 -1.26 -4.28 120.51 109.42 1wcm n ALA 51 Ca -0.05 0.31 -0.01 0.00 0.00 0.00 0.00 53.44 53.69 1wcm n ALA 51 Cb 0.59 -1.77 -0.01 0.00 0.00 0.00 0.00 19.45 18.26 1wcm n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1wcm n GLN 52 N 0.81 -3.33 -4.07 0.00 6.02 0.80 -4.95 117.38 112.67 1wcm n GLN 52 Ca 0.13 2.68 -0.10 0.00 -0.01 0.00 0.00 57.00 59.69 1wcm n GLN 52 Cb 0.33 -4.67 -0.07 0.00 1.02 0.00 0.00 30.24 26.85 1wcm n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1wcm s ASP 53 N -1.29 -0.00 -0.73 1.08 1.01 -1.26 -4.84 116.67 110.64 1wcm s ASP 53 Ca -0.07 -1.09 -0.07 0.00 0.71 0.00 0.00 52.55 52.04 1wcm s ASP 53 Cb 0.00 0.52 0.19 0.00 1.01 0.00 0.00 42.92 44.64 1wcm s ASP 53 CO 0.67 -1.04 0.60 -0.94 0.21 0.00 0.00 175.17 174.67 1wcm s SER 54 N -3.07 5.87 -0.03 0.27 1.04 -1.26 -3.59 113.70 112.93 1wcm s SER 54 Ca 0.28 -2.89 -0.04 0.00 0.48 0.00 0.00 55.95 53.78 1wcm s SER 54 Cb 0.02 -1.99 -0.04 0.00 0.10 0.00 0.00 66.02 64.11 1wcm s SER 54 CO 0.10 -0.42 0.18 -0.76 0.98 0.00 0.00 173.24 173.32 1wcm s LEU 55 N -0.13 4.38 -0.27 2.42 1.43 -1.08 -4.78 118.68 120.65 1wcm s LEU 55 Ca 0.19 0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.60 1wcm s LEU 55 Cb -0.15 -2.50 -0.00 0.00 0.03 0.00 0.00 46.19 43.56 1wcm s LEU 55 CO -0.06 0.29 0.06 -0.89 0.23 0.00 0.00 176.35 175.98 1wcm s THR 56 N -1.26 3.99 -0.03 5.49 2.01 -1.21 -1.36 115.64 123.27 1wcm s THR 56 Ca 0.25 -0.51 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1wcm s THR 56 Cb -0.12 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1wcm s THR 56 CO 0.16 0.20 0.19 -0.69 -0.69 0.00 0.00 174.62 173.79 1wcm s VAL 57 N 1.53 5.42 0.23 3.82 1.01 -0.73 -3.16 120.40 128.53 1wcm s VAL 57 Ca 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.93 1wcm s VAL 57 Cb -0.16 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1wcm s VAL 57 CO 0.02 0.41 0.41 -0.89 0.00 0.00 0.00 175.10 175.05 1wcm s THR 58 N -1.24 0.01 0.00 3.92 2.01 -1.17 -3.07 115.64 116.10 1wcm s THR 58 Ca 0.24 -1.48 0.00 0.00 0.31 0.00 0.00 61.69 60.76 1wcm s THR 58 Cb -0.13 -2.20 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1wcm s THR 58 CO 0.14 -0.03 0.00 -0.38 -0.69 0.00 0.00 174.62 173.66 1wcm n ILE 59 N -0.35 0.00 -0.20 1.82 5.41 -1.24 -2.72 119.36 122.09 1wcm n ILE 59 Ca -0.02 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.74 1wcm n ILE 59 Cb 0.63 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.55 1wcm n ILE 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1wcm n ALA 60 N -3.00 -0.63 -3.19 -1.39 0.00 -1.26 -4.54 120.51 106.50 1wcm n ALA 60 Ca 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 1wcm n ALA 60 Cb 0.00 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1wcm n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wcm n SER 61 N -1.81 4.76 0.00 0.00 3.41 -1.26 -1.97 113.62 116.75 1wcm n SER 61 Ca -0.00 -3.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.11 1wcm n SER 61 Cb 0.07 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 1wcm n SER 61 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wcm n SER 62 N 0.70 0.00 -0.86 4.04 3.41 -1.26 -4.48 113.62 115.17 1wcm n SER 62 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1wcm n SER 62 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1wcm n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wcm n LEU 63 N 0.00 0.00 -0.03 1.04 4.77 -1.26 -4.93 117.00 116.58 1wcm n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wcm n LEU 63 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wcm n LEU 63 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.47 1wcm n THR 76 N -0.27 0.00 -1.44 -5.08 -1.04 -1.26 -4.53 114.28 100.66 1wcm n THR 76 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1wcm n THR 76 Cb 0.00 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.41 1wcm n THR 76 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1wcm n ARG 77 N -0.03 -4.10 -1.50 -2.82 1.74 -1.26 -4.84 116.66 103.85 1wcm n ARG 77 Ca 0.00 3.02 -0.46 0.00 -0.77 0.00 0.00 57.85 59.64 1wcm n ARG 77 Cb 0.03 -3.37 -0.02 0.00 -1.02 0.00 0.00 32.46 28.08 1wcm n ARG 77 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wcm n SER 78 N -0.42 0.04 -4.67 0.55 3.41 -1.26 -4.88 113.62 106.40 1wcm n SER 78 Ca 0.00 1.14 -0.43 0.00 -0.26 0.00 0.00 58.87 59.33 1wcm n SER 78 Cb 0.00 -1.13 -0.03 0.00 -0.26 0.00 0.00 64.21 62.80 1wcm n SER 78 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1wcm s TRP 79 N -1.06 3.40 0.00 7.33 -0.00 -1.26 -5.04 118.94 122.31 1wcm s TRP 79 Ca 0.61 1.46 -0.27 0.00 -0.00 0.00 0.00 56.10 57.91 1wcm s TRP 79 Cb -0.79 -3.20 -0.04 0.00 -0.00 0.00 0.00 33.47 29.43 1wcm s TRP 79 CO 0.58 -0.37 0.83 1.03 -0.00 0.00 0.00 176.95 179.02 1wcm s ARG 80 N 2.70 4.52 0.00 5.86 0.52 -1.26 -5.08 118.95 126.21 1wcm s ARG 80 Ca 0.44 1.16 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 1wcm s ARG 80 Cb -0.16 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1wcm s ARG 80 CO 0.10 0.10 0.00 -2.30 0.02 0.00 0.00 175.30 173.23 1wcm n PRO 81 N 3.45 0.96 0.00 3.54 -0.02 -1.26 -4.98 135.00 136.69 1wcm n PRO 81 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1wcm n PRO 81 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.99 1wcm n PRO 81 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1wcm n PRO 82 N 0.00 0.00 0.00 0.52 -0.04 -1.26 -4.58 135.00 129.64 1wcm n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wcm n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1wcm n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1wcm n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.39 117.38 118.29 1wcm n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1wcm n GLN 83 Cb 0.00 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.22 1wcm n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wcm n ALA 84 N 0.00 1.35 0.00 -1.58 0.00 -1.26 -3.47 120.51 115.55 1wcm n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wcm n ALA 84 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1wcm n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wcm n GLY 85 N 0.13 -0.33 0.53 0.00 0.00 -1.26 -0.99 105.19 103.27 1wcm n GLY 85 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wcm n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wcm n ASP 86 N -1.31 0.03 -1.07 1.61 -0.08 -1.23 -5.12 116.55 109.38 1wcm n ASP 86 Ca 0.00 -1.96 0.00 0.00 -1.51 0.00 0.00 54.79 51.32 1wcm n ASP 86 Cb 0.03 -0.19 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1wcm n ASP 86 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wcm n ARG 87 N 0.02 2.44 -1.13 -0.67 1.74 -0.16 -5.10 116.66 113.80 1wcm n ARG 87 Ca 0.00 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1wcm n ARG 87 Cb 0.71 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 32.22 1wcm n ARG 87 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1wcm n SER 88 N -1.06 -2.40 -2.74 0.55 3.41 -1.26 -5.00 113.62 105.12 1wcm n SER 88 Ca 0.00 0.48 -0.04 0.00 -0.26 0.00 0.00 58.87 59.05 1wcm n SER 88 Cb 0.00 -1.10 0.02 0.00 -0.26 0.00 0.00 64.21 62.87 1wcm n SER 88 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1wcm n LEU 89 N 0.40 -2.88 -1.16 1.04 4.77 -1.26 -4.96 117.00 112.95 1wcm n LEU 89 Ca 0.07 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 1wcm n LEU 89 Cb 0.51 0.72 0.00 0.00 -2.33 0.00 0.00 43.42 42.32 1wcm n LEU 89 CO 0.51 1.78 0.45 0.00 -1.33 0.00 0.00 177.39 178.80 1wcm n ALA 90 N 2.61 2.49 -0.55 -1.18 0.00 -1.26 -3.99 120.51 118.63 1wcm n ALA 90 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.60 1wcm n ALA 90 Cb 0.60 -1.07 0.29 0.00 0.00 0.00 0.00 19.45 19.27 1wcm n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1wcm n ASP 91 N 0.90 4.59 -0.57 0.00 5.75 -1.26 -4.64 116.55 121.31 1wcm n ASP 91 Ca 0.00 -2.83 0.00 0.00 -0.01 0.00 0.00 54.79 51.95 1wcm n ASP 91 Cb 0.36 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1wcm n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1wcm n ASP 92 N 0.28 0.17 -1.50 -1.12 8.00 -1.26 -4.60 116.55 116.51 1wcm n ASP 92 Ca 0.26 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1wcm n ASP 92 Cb 1.08 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 42.11 1wcm n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1wcm n TYR 93 N 0.50 0.00 -0.11 1.24 4.02 -1.26 -4.94 117.16 116.61 1wcm n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1wcm n TYR 93 Cb 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 1wcm n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1wcm n ASP 94 N -0.86 0.44 -3.64 7.72 8.00 0.16 -4.96 116.55 123.41 1wcm n ASP 94 Ca 0.00 -0.73 -0.12 0.00 0.71 0.00 0.00 54.79 54.65 1wcm n ASP 94 Cb 0.00 0.36 -0.12 0.00 -0.02 0.00 0.00 41.12 41.34 1wcm n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1wcm s TYR 95 N -0.36 -0.53 -0.27 1.24 6.04 -0.95 -4.91 117.35 117.61 1wcm s TYR 95 Ca 0.00 1.08 -0.04 0.00 0.04 0.00 0.00 57.07 58.16 1wcm s TYR 95 Cb 0.00 0.04 0.09 0.00 -1.04 0.00 0.00 41.96 41.05 1wcm s TYR 95 CO 0.00 -0.41 0.11 0.08 -1.54 0.00 0.00 175.55 173.79 1wcm s VAL 96 N 2.47 0.13 0.52 3.14 1.01 -1.26 -0.47 120.40 125.95 1wcm s VAL 96 Ca 0.01 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1wcm s VAL 96 Cb -0.12 -1.04 0.06 0.00 0.00 0.00 0.00 36.38 35.28 1wcm s VAL 96 CO -0.10 -0.61 0.67 -0.04 0.00 0.00 0.00 175.10 175.02 1wcm s MET 97 N 2.01 2.45 -0.20 2.72 -1.94 -0.77 -4.88 119.30 118.69 1wcm s MET 97 Ca 0.07 -1.57 -0.09 0.00 -1.71 0.00 0.00 55.69 52.40 1wcm s MET 97 Cb -0.16 -2.61 0.08 0.00 2.01 0.00 0.00 34.83 34.15 1wcm s MET 97 CO -0.29 -0.64 0.46 -0.47 -0.01 0.00 0.00 175.02 174.07 1wcm s TYR 98 N -2.58 -0.79 0.00 -0.03 5.04 -1.26 -0.27 117.35 117.46 1wcm s TYR 98 Ca 0.57 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.75 1wcm s TYR 98 Cb -0.06 0.36 0.00 0.00 0.35 0.00 0.00 41.96 42.60 1wcm s TYR 98 CO 0.35 -0.45 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 1wcm n GLY 99 N 4.91 4.10 3.24 8.97 0.00 -1.25 -4.67 105.19 120.48 1wcm n GLY 99 Ca -0.15 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.02 1wcm n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wcm s THR 100 N -0.39 0.77 -0.16 2.61 2.01 0.30 -4.21 115.64 116.56 1wcm s THR 100 Ca 0.00 -1.99 -0.04 0.00 0.31 0.00 0.00 61.69 59.97 1wcm s THR 100 Cb 0.00 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1wcm s THR 100 CO 0.00 -0.57 -0.02 0.00 -0.69 0.00 0.00 174.62 173.34 1wcm s ALA 101 N -3.59 3.07 -0.25 7.40 0.00 -1.26 0.15 121.76 127.28 1wcm s ALA 101 Ca 0.21 -0.81 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1wcm s ALA 101 Cb 0.05 -1.63 -0.12 0.00 0.00 0.00 0.00 23.12 21.43 1wcm s ALA 101 CO 0.02 0.20 -0.29 2.48 0.00 0.00 0.00 175.76 178.17 1wcm n TYR 102 N 3.55 0.13 -4.34 0.00 -0.00 -1.14 -4.84 117.16 110.52 1wcm n TYR 102 Ca -0.17 0.06 -0.24 0.00 -0.00 0.00 0.00 57.90 57.55 1wcm n TYR 102 Cb 0.52 -0.92 -0.12 0.00 -0.00 0.00 0.00 39.34 38.82 1wcm n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 1wcm s LYS 103 N -2.55 1.29 -0.52 -3.48 2.20 -1.26 -5.02 119.74 110.40 1wcm s LYS 103 Ca -0.36 -1.36 0.03 0.00 -0.36 0.00 0.00 55.97 53.92 1wcm s LYS 103 Cb 0.12 -1.48 0.13 0.00 -1.51 0.00 0.00 37.83 35.09 1wcm s LYS 103 CO 0.48 0.32 0.26 -0.06 -0.36 0.00 0.00 175.35 176.00 1wcm s PHE 104 N -1.69 3.26 0.48 4.03 0.40 -1.26 -1.97 117.98 121.23 1wcm s PHE 104 Ca 0.14 -3.10 -0.08 0.00 -0.60 0.00 0.00 56.93 53.29 1wcm s PHE 104 Cb -0.07 -2.88 -0.05 0.00 0.51 0.00 0.00 43.02 40.53 1wcm s PHE 104 CO 0.07 -0.77 0.82 -2.00 0.70 0.00 0.00 175.22 174.03 1wcm s GLU 105 N -0.16 3.64 -0.67 0.44 2.12 -0.67 -4.97 118.70 118.43 1wcm s GLU 105 Ca 0.16 0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.91 1wcm s GLU 105 Cb -0.25 -2.33 0.16 0.00 0.26 0.00 0.00 34.13 31.97 1wcm s GLU 105 CO -0.01 -0.20 0.46 -1.21 -0.54 0.00 0.00 175.26 173.75 1wcm s GLU 106 N -4.49 2.44 -0.24 4.30 2.02 -1.26 -2.41 118.70 119.05 1wcm s GLU 106 Ca 0.50 -3.07 -0.02 0.00 0.02 0.00 0.00 54.97 52.40 1wcm s GLU 106 Cb -0.10 -3.49 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 1wcm s GLU 106 CO 0.41 -1.22 1.37 0.28 0.02 0.00 0.00 175.26 176.11 1wcm n VAL 107 N 2.47 0.88 -1.28 2.63 0.31 -0.86 -4.81 118.33 117.67 1wcm n VAL 107 Ca 0.15 -0.50 0.15 0.00 -0.01 0.00 0.00 64.34 64.12 1wcm n VAL 107 Cb 0.35 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.51 1wcm n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1wcm n SER 108 N 4.08 -6.80 0.00 4.52 3.41 -1.26 -4.59 113.62 112.98 1wcm n SER 108 Ca 0.15 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1wcm n SER 108 Cb 0.10 -4.20 0.00 0.00 -0.26 0.00 0.00 64.21 59.85 1wcm n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wcm n LYS 109 N -3.96 0.00 -1.51 4.33 5.02 -1.26 -2.07 118.16 118.71 1wcm n LYS 109 Ca -0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.90 1wcm n LYS 109 Cb 0.62 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.69 1wcm n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1wcm n ASP 110 N -0.42 7.24 -4.29 4.39 5.75 -1.26 -4.94 116.55 123.02 1wcm n ASP 110 Ca 0.00 -3.79 -0.34 0.00 -0.01 0.00 0.00 54.79 50.65 1wcm n ASP 110 Cb 0.00 -0.89 -0.14 0.00 -1.03 0.00 0.00 41.12 39.06 1wcm n ASP 110 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1wcm s LEU 111 N -3.82 2.73 -0.14 -2.12 1.43 -0.88 -4.72 118.68 111.17 1wcm s LEU 111 Ca 0.61 -0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1wcm s LEU 111 Cb 0.49 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 45.05 1wcm s LEU 111 CO -0.05 0.02 -0.21 -0.63 0.23 0.00 0.00 176.35 175.71 1wcm s ILE 112 N 1.23 2.00 0.11 -0.59 1.01 -1.17 -2.02 121.20 121.77 1wcm s ILE 112 Ca 0.02 -0.95 0.10 0.00 0.00 0.00 0.00 60.65 59.83 1wcm s ILE 112 Cb -0.14 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1wcm s ILE 112 CO -0.03 0.54 -0.25 0.00 0.00 0.00 0.00 174.94 175.20 1wcm s ALA 113 N 0.84 2.42 -0.01 9.38 0.00 -1.01 -3.34 121.76 130.04 1wcm s ALA 113 Ca -0.07 -1.40 0.04 0.00 0.00 0.00 0.00 51.96 50.54 1wcm s ALA 113 Cb -0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1wcm s ALA 113 CO -0.02 0.55 -0.14 0.14 0.00 0.00 0.00 175.76 176.29 1wcm s VAL 114 N -1.02 1.12 0.08 0.00 -7.23 -1.10 -1.68 120.40 110.57 1wcm s VAL 114 Ca 0.14 -0.63 0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1wcm s VAL 114 Cb -0.10 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.86 1wcm s VAL 114 CO 0.06 0.30 0.23 -0.31 -0.31 0.00 0.00 175.10 175.07 1wcm s TYR 115 N -0.36 3.51 0.10 2.82 1.51 -0.83 -1.86 117.35 122.23 1wcm s TYR 115 Ca 0.05 0.25 0.03 0.00 -1.01 0.00 0.00 57.07 56.39 1wcm s TYR 115 Cb -0.06 -1.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1wcm s TYR 115 CO -0.00 0.57 -0.08 0.71 -1.11 0.00 0.00 175.55 175.63 1wcm s TYR 116 N -1.56 0.97 -0.16 2.71 1.51 0.10 -2.86 117.35 118.06 1wcm s TYR 116 Ca 0.35 -0.75 -0.08 0.00 -1.01 0.00 0.00 57.07 55.58 1wcm s TYR 116 Cb -0.13 -0.54 0.06 0.00 -0.11 0.00 0.00 41.96 41.24 1wcm s TYR 116 CO 0.28 -0.06 0.37 0.45 -1.11 0.00 0.00 175.55 175.48 1wcm s SER 117 N -2.66 -0.41 -0.78 2.29 0.15 0.12 -0.10 113.70 112.32 1wcm s SER 117 Ca 0.07 0.81 0.03 0.00 0.70 0.00 0.00 55.95 57.56 1wcm s SER 117 Cb 0.00 0.74 0.24 0.00 -1.71 0.00 0.00 66.02 65.29 1wcm s SER 117 CO -0.02 -0.19 0.83 0.49 1.20 0.00 0.00 173.24 175.55 1wcm n PHE 118 N 4.39 3.51 -3.94 3.44 3.01 -0.59 0.11 117.46 127.39 1wcm n PHE 118 Ca -0.22 -3.94 -0.28 0.00 1.01 0.00 0.00 57.45 54.02 1wcm n PHE 118 Cb 0.54 -0.81 -0.01 0.00 -0.01 0.00 0.00 39.48 39.18 1wcm n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1wcm n GLY 119 N 1.45 -0.38 0.00 1.37 0.00 -1.26 -3.03 105.19 103.34 1wcm n GLY 119 Ca 0.26 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1wcm n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wcm n GLY 120 N -1.98 0.99 3.39 -0.02 0.00 -1.26 -5.07 105.19 101.24 1wcm n GLY 120 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1wcm n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wcm s LEU 121 N 0.00 4.84 0.66 0.99 1.43 -1.17 -5.07 118.68 120.36 1wcm s LEU 121 Ca 0.00 -1.00 -0.10 0.00 -1.03 0.00 0.00 54.13 52.00 1wcm s LEU 121 Cb 0.00 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1wcm s LEU 121 CO 0.00 -0.41 1.04 -0.76 0.23 0.00 0.00 176.35 176.44 1wcm s LEU 122 N 1.58 3.05 -0.09 1.79 1.43 -1.26 -1.54 118.68 123.63 1wcm s LEU 122 Ca 0.03 1.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.99 1wcm s LEU 122 Cb -0.19 -3.93 0.05 0.00 0.03 0.00 0.00 46.19 42.15 1wcm s LEU 122 CO 0.07 -1.18 0.51 -0.32 0.23 0.00 0.00 176.35 175.66 1wcm s MET 123 N -5.23 0.78 -0.03 1.70 -2.45 0.86 -1.17 119.30 113.74 1wcm s MET 123 Ca 0.56 0.29 0.02 0.00 -1.25 0.00 0.00 55.69 55.31 1wcm s MET 123 Cb -0.11 0.36 0.01 0.00 1.25 0.00 0.00 34.83 36.35 1wcm s MET 123 CO 0.50 -0.19 -0.06 0.50 1.05 0.00 0.00 175.02 176.82 1wcm s ARG 124 N -0.69 0.84 0.17 4.11 3.52 0.31 0.02 118.95 127.23 1wcm s ARG 124 Ca -0.08 -0.18 0.09 0.00 -0.13 0.00 0.00 55.73 55.43 1wcm s ARG 124 Cb -0.03 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 1wcm s ARG 124 CO 0.05 0.01 -0.20 -1.17 -0.81 0.00 0.00 175.30 173.17 1wcm s LEU 125 N 0.56 2.43 -0.14 -0.88 2.96 -0.78 -2.01 118.68 120.82 1wcm s LEU 125 Ca -0.08 -0.86 -0.11 0.00 -0.22 0.00 0.00 54.13 52.86 1wcm s LEU 125 Cb -0.11 -0.92 0.04 0.00 0.50 0.00 0.00 46.19 45.70 1wcm s LEU 125 CO 0.00 0.01 0.37 -0.70 -1.32 0.00 0.00 176.35 174.71 1wcm s GLU 126 N -2.73 0.40 0.00 1.98 2.12 -1.20 -2.73 118.70 116.54 1wcm s GLU 126 Ca 0.17 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.08 1wcm s GLU 126 Cb -0.06 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.44 1wcm s GLU 126 CO 0.07 -0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1wcm n GLY 127 N 3.38 -0.33 0.00 -1.50 0.00 -1.21 -3.19 105.19 102.34 1wcm n GLY 127 Ca -0.17 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1wcm n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wcm n ASN 128 N 0.00 0.00 -0.78 1.61 2.85 -1.26 -3.07 115.26 114.62 1wcm n ASN 128 Ca 0.00 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.59 1wcm n ASN 128 Cb 0.00 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.31 1wcm n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1wcm n TYR 129 N 0.00 0.09 0.17 1.20 0.18 -1.26 -4.11 117.16 113.42 1wcm n TYR 129 Ca 0.00 -0.04 -0.02 0.00 1.88 0.00 0.00 57.90 59.71 1wcm n TYR 129 Cb 0.00 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.09 1wcm n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1wcm n ARG 130 N 0.85 2.16 -0.36 -3.48 3.00 -1.26 -4.44 116.66 113.14 1wcm n ARG 130 Ca 0.17 -1.27 0.27 0.00 -0.01 0.00 0.00 57.85 57.01 1wcm n ARG 130 Cb 0.49 -1.68 0.53 0.00 0.00 0.00 0.00 32.46 31.80 1wcm n ARG 130 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 1wcm h ASN 131 N 1.14 0.43 0.00 0.55 2.35 -1.93 -0.94 115.58 117.18 1wcm h ASN 131 Ca 0.11 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 1wcm h ASN 131 Cb 1.38 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1wcm h ASN 131 CO 0.30 -0.07 0.00 0.18 -1.65 0.00 0.00 177.43 176.19 1wcm n LEU 132 N -4.82 1.55 -0.06 1.61 4.77 -1.26 -4.79 117.00 113.99 1wcm n LEU 132 Ca 0.31 -1.55 -0.05 0.00 -0.03 0.00 0.00 56.01 54.69 1wcm n LEU 132 Cb 1.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.14 1wcm n LEU 132 CO 0.18 0.39 -0.37 0.59 -1.33 0.00 0.00 177.39 176.84 1wcm n ASN 133 N -0.28 1.57 -4.62 -1.43 3.02 -0.40 -4.89 115.26 108.24 1wcm n ASN 133 Ca 0.00 0.50 -0.43 0.00 -0.03 0.00 0.00 54.58 54.62 1wcm n ASN 133 Cb 0.15 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 1wcm n ASN 133 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1wcm s ASN 134 N -5.47 6.22 0.00 6.41 0.01 -0.97 -4.92 114.94 116.22 1wcm s ASN 134 Ca -0.16 1.56 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 1wcm s ASN 134 Cb 0.02 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1wcm s ASN 134 CO 0.24 -1.40 0.00 0.18 -1.51 0.00 0.00 177.10 174.61 1wcm n LEU 135 N 9.02 0.00 0.00 0.60 4.77 -1.26 -4.96 117.00 125.17 1wcm n LEU 135 Ca 0.20 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1wcm n LEU 135 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1wcm n LEU 135 CO 0.66 -0.25 0.26 0.29 -1.33 0.00 0.00 177.39 177.02 1wcm n LYS 136 N 0.00 0.36 -2.57 3.23 5.02 -1.26 -5.10 118.16 117.85 1wcm n LYS 136 Ca 0.00 -0.58 -0.24 0.00 -2.02 0.00 0.00 58.31 55.47 1wcm n LYS 136 Cb 0.00 -0.57 0.04 0.00 -0.02 0.00 0.00 35.03 34.48 1wcm n LYS 136 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1wcm s GLN 137 N -0.13 2.71 0.07 1.97 -0.21 -1.26 -4.91 119.66 117.91 1wcm s GLN 137 Ca 0.00 -0.37 -0.36 0.00 0.02 0.00 0.00 55.36 54.64 1wcm s GLN 137 Cb 0.00 -2.38 -0.19 0.00 1.00 0.00 0.00 33.01 31.44 1wcm s GLN 137 CO 0.00 -0.70 1.58 1.49 -2.12 0.00 0.00 175.29 175.54 1wcm h GLU 138 N -0.05 -1.10 -4.58 2.91 4.81 -1.88 -3.39 114.58 111.29 1wcm h GLU 138 Ca -0.45 0.08 -0.60 0.00 -0.13 0.00 0.00 59.36 58.26 1wcm h GLU 138 Cb 1.28 0.25 0.04 0.00 0.63 0.00 0.00 28.75 30.95 1wcm h GLU 138 CO 0.58 -0.74 0.01 0.09 -0.73 0.00 0.00 179.01 178.22 1wcm n ASN 139 N -5.60 -0.09 0.00 1.04 3.02 -1.26 -4.21 115.26 108.16 1wcm n ASN 139 Ca -0.14 0.88 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1wcm n ASN 139 Cb 0.48 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1wcm n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wcm n ALA 140 N 1.05 0.00 -1.76 5.41 0.00 -1.26 -4.84 120.51 119.10 1wcm n ALA 140 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1wcm n ALA 140 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 1wcm n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wcm s TYR 141 N 0.00 3.44 0.13 0.00 1.51 -0.83 -3.80 117.35 117.80 1wcm s TYR 141 Ca 0.00 1.66 0.06 0.00 -1.01 0.00 0.00 57.07 57.79 1wcm s TYR 141 Cb 0.00 -3.28 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 1wcm s TYR 141 CO 0.00 -0.69 -0.03 -1.17 -1.11 0.00 0.00 175.55 172.55 1wcm s LEU 142 N -1.82 3.28 0.04 -1.29 2.96 0.63 -4.01 118.68 118.47 1wcm s LEU 142 Ca 0.49 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.06 1wcm s LEU 142 Cb -0.30 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1wcm s LEU 142 CO 0.38 0.14 -0.01 -0.76 -1.32 0.00 0.00 176.35 174.78 1wcm s LEU 143 N -2.53 2.30 -0.16 -0.68 1.02 -1.10 -1.85 118.68 115.68 1wcm s LEU 143 Ca 0.25 -0.75 -0.14 0.00 0.02 0.00 0.00 54.13 53.51 1wcm s LEU 143 Cb -0.11 0.22 0.04 0.00 0.02 0.00 0.00 46.19 46.36 1wcm s LEU 143 CO 0.17 -0.48 0.42 -0.63 0.02 0.00 0.00 176.35 175.85 1wcm s ILE 144 N -2.82 -0.00 0.01 -0.59 1.01 0.38 -3.04 121.20 116.15 1wcm s ILE 144 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1wcm s ILE 144 Cb 0.00 -0.58 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 1wcm s ILE 144 CO -0.06 0.00 -0.02 0.00 0.00 0.00 0.00 174.94 174.86 1wcm s ARG 145 N 0.24 0.20 0.00 2.79 1.70 -1.19 0.41 118.95 123.10 1wcm s ARG 145 Ca -0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1wcm s ARG 145 Cb -0.03 0.06 0.00 0.00 -0.57 0.00 0.00 34.95 34.41 1wcm s ARG 145 CO 0.00 -0.03 0.00 0.54 -1.08 0.00 0.00 175.30 174.73